2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine

C9H17F3N2S — CID 66421134

IUPAC2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine
SMILESCN(CCC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-14(7-9(10,11)12)4-2-8-6-15-5-3-13-8/h8,13H,2-7H2,1H3
InChIKeyRKYHKOPGCNCMKS-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.58
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine

2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine (PubChem CID 66421134) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine
PubChem CID66421134
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine
SMILESCN(CCC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-14(7-9(10,11)12)4-2-8-6-15-5-3-13-8/h8,13H,2-7H2,1H3
InChIKeyRKYHKOPGCNCMKS-UHFFFAOYSA-N
XLogP1.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine (CID 66421134) is 2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine is CN(CCC1CSCCN1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine?
The InChIKey is RKYHKOPGCNCMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-14(7-9(10,11)12)4-2-8-6-15-5-3-13-8/h8,13H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine?
2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine has a molecular weight of 242.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine is sourced from PubChem (CID 66421134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).